1-benzyl-5-(1H-indole-2-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C27H24N6O2S — CID 26231769

IUPAC1-benzyl-5-(1H-indole-2-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1nccs1)c1nn(Cc2ccccc2)c2c1CN(C(=O)c1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C27H24N6O2S/c34-26(29-15-24-28-11-13-36-24)25-20-17-32(27(35)22-14-19-8-4-5-9-21(19)30-22)12-10-23(20)33(31-25)16-18-6-2-1-3-7-18/h1-9,11,13-14,30H,10,12,15-17H2,(H,29,34)
InChIKeyBLCRQPGWMXJUFL-UHFFFAOYSA-N
MW496.60 g/mol
LogP4.00
Rot. Bonds6

About 1-benzyl-5-(1H-indole-2-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-benzyl-5-(1H-indole-2-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26231769) has the molecular formula C27H24N6O2S and a molecular weight of 496.60 g/mol. Its IUPAC name is 1-benzyl-5-(1H-indole-2-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-(1H-indole-2-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26231769
Molecular FormulaC27H24N6O2S
Molecular Weight496.60 g/mol
Exact Mass496.17
IUPAC Name1-benzyl-5-(1H-indole-2-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1nccs1)c1nn(Cc2ccccc2)c2c1CN(C(=O)c1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C27H24N6O2S/c34-26(29-15-24-28-11-13-36-24)25-20-17-32(27(35)22-14-19-8-4-5-9-21(19)30-22)12-10-23(20)33(31-25)16-18-6-2-1-3-7-18/h1-9,11,13-14,30H,10,12,15-17H2,(H,29,34)
InChIKeyBLCRQPGWMXJUFL-UHFFFAOYSA-N
XLogP4.00
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(1H-indole-2-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-benzyl-5-(1H-indole-2-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26231769) is 1-benzyl-5-(1H-indole-2-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-(1H-indole-2-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-(1H-indole-2-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCc1nccs1)c1nn(Cc2ccccc2)c2c1CN(C(=O)c1cc3ccccc3[nH]1)CC2.
What is the InChIKey of 1-benzyl-5-(1H-indole-2-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is BLCRQPGWMXJUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2S/c34-26(29-15-24-28-11-13-36-24)25-20-17-32(27(35)22-14-19-8-4-5-9-21(19)30-22)12-10-23(20)33(31-25)16-18-6-2-1-3-7-18/h1-9,11,13-14,30H,10,12,15-17H2,(H,29,34).
What are the key properties of 1-benzyl-5-(1H-indole-2-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-benzyl-5-(1H-indole-2-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 496.60 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(1H-indole-2-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26231769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).